2-[3-[8-(9,9-dimethyl-6-phenylfluoren-2-yl)-3-phenyl-9H-fluoren-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine

C61H43N3 — CID 160864265

IUPAC2-[3-[8-(9,9-dimethyl-6-phenylfluoren-2-yl)-3-phenyl-9H-fluoren-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCC1(C)c2ccc(-c3ccccc3)cc2-c2ccc(-c3cccc4c3Cc3c(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)cc(-c5ccccc5)cc3-4)cc21
InChIInChI=1S/C61H43N3/c1-61(2)56-32-30-43(39-17-7-3-8-18-39)34-55(56)50-31-29-45(37-57(50)61)48-27-16-28-49-52-36-47(40-19-9-4-10-20-40)35-51(54(52)38-53(48)49)44-25-15-26-46(33-44)60-63-58(41-21-11-5-12-22-41)62-59(64-60)42-23-13-6-14-24-42/h3-37H,38H2,1-2H3
InChIKeyCGMKZJRNGHYCMB-UHFFFAOYSA-N
MW818.04 g/mol
LogP15.42
Rot. Bonds7

About 2-[3-[8-(9,9-dimethyl-6-phenylfluoren-2-yl)-3-phenyl-9H-fluoren-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine

2-[3-[8-(9,9-dimethyl-6-phenylfluoren-2-yl)-3-phenyl-9H-fluoren-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 160864265) has the molecular formula C61H43N3 and a molecular weight of 818.04 g/mol. Its IUPAC name is 2-[3-[8-(9,9-dimethyl-6-phenylfluoren-2-yl)-3-phenyl-9H-fluoren-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-[8-(9,9-dimethyl-6-phenylfluoren-2-yl)-3-phenyl-9H-fluoren-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID160864265
Molecular FormulaC61H43N3
Molecular Weight818.04 g/mol
Exact Mass817.35
IUPAC Name2-[3-[8-(9,9-dimethyl-6-phenylfluoren-2-yl)-3-phenyl-9H-fluoren-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCC1(C)c2ccc(-c3ccccc3)cc2-c2ccc(-c3cccc4c3Cc3c(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)cc(-c5ccccc5)cc3-4)cc21
InChIInChI=1S/C61H43N3/c1-61(2)56-32-30-43(39-17-7-3-8-18-39)34-55(56)50-31-29-45(37-57(50)61)48-27-16-28-49-52-36-47(40-19-9-4-10-20-40)35-51(54(52)38-53(48)49)44-25-15-26-46(33-44)60-63-58(41-21-11-5-12-22-41)62-59(64-60)42-23-13-6-14-24-42/h3-37H,38H2,1-2H3
InChIKeyCGMKZJRNGHYCMB-UHFFFAOYSA-N
XLogP15.42
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500818.04
LogP ≤ 515.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[3-[8-(3-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[3-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine
CID 157184888
2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[3-phenyl-5-(8-phenyl-9H-fluoren-1-yl)phenyl]-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[3-phenyl-5-(8-phenyl-9H-fluoren-1-yl)phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[3-phenyl-5-(8-phenyl-9H-fluoren-1-yl)phenyl]-1,3,5-triazine
CID 158720930
bis(2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine);2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 161026217
2,4-bis[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;2,4-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine;2,4-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2,4-bis[3-(9,9-dimethylfluoren-3-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 158233216
2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-6-(8-phenyl-9H-fluoren-1-yl)-1,3,5-triazine
CID 118685409
2-[4-[8-(9,9-dimethylfluoren-3-yl)-9H-fluoren-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121241556
2-[4-[8-(9,9-dimethylfluoren-2-yl)-9H-fluoren-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;methane
CID 159284999
2-(9,9-dimethylfluoren-2-yl)-4-[3-[3-[6-(9,9-dimethylfluoren-3-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-[3-[3-[6-(9,9-dimethylfluoren-3-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[3-[3-[6-(9,9-dimethylfluoren-3-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 158946887
2-(9,9-dimethylfluoren-3-yl)-4-[3-[3-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 154614101
2-[3-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4,6-bis(9,9-dimethylfluoren-2-yl)-1,3,5-triazine;2-[3-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazine;2-[3-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 162132330
2-(9,9-dimethylfluoren-3-yl)-4-[3-[3-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 154613773
2-[4-(9,9-dimethylfluoren-2-yl)-3-phenylphenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 146187818

Frequently Asked Questions

What is the IUPAC name of 2-[3-[8-(9,9-dimethyl-6-phenylfluoren-2-yl)-3-phenyl-9H-fluoren-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[3-[8-(9,9-dimethyl-6-phenylfluoren-2-yl)-3-phenyl-9H-fluoren-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine (CID 160864265) is 2-[3-[8-(9,9-dimethyl-6-phenylfluoren-2-yl)-3-phenyl-9H-fluoren-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[3-[8-(9,9-dimethyl-6-phenylfluoren-2-yl)-3-phenyl-9H-fluoren-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[3-[8-(9,9-dimethyl-6-phenylfluoren-2-yl)-3-phenyl-9H-fluoren-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine is CC1(C)c2ccc(-c3ccccc3)cc2-c2ccc(-c3cccc4c3Cc3c(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)cc(-c5ccccc5)cc3-4)cc21.
What is the InChIKey of 2-[3-[8-(9,9-dimethyl-6-phenylfluoren-2-yl)-3-phenyl-9H-fluoren-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is CGMKZJRNGHYCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H43N3/c1-61(2)56-32-30-43(39-17-7-3-8-18-39)34-55(56)50-31-29-45(37-57(50)61)48-27-16-28-49-52-36-47(40-19-9-4-10-20-40)35-51(54(52)38-53(48)49)44-25-15-26-46(33-44)60-63-58(41-21-11-5-12-22-41)62-59(64-60)42-23-13-6-14-24-42/h3-37H,38H2,1-2H3.
What are the key properties of 2-[3-[8-(9,9-dimethyl-6-phenylfluoren-2-yl)-3-phenyl-9H-fluoren-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
2-[3-[8-(9,9-dimethyl-6-phenylfluoren-2-yl)-3-phenyl-9H-fluoren-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 818.04 g/mol, XLogP of 15.42, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[8-(9,9-dimethyl-6-phenylfluoren-2-yl)-3-phenyl-9H-fluoren-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 160864265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).